SCHEMBL5879543

SCHEMBL5879543

O=C(O)CC1c2ccccc2C(=O)N(CCOCc2ccc(NC(=O)NCc3ccccc3)cc2)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.76
ITGAV P06756 19/20 0.76
NAMPT P43490 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5879666 0.86 ITGB3 (1.00) ITGB3ITGAVNAMPT
SCHEMBL5879843 0.85 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879575 0.83 ITGB3 (0.51) ITGB3ITGAV
SCHEMBL5880224 0.80 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879684 0.78 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5879552 0.77 ITGB3 (0.83) ITGB3ITGAV
SCHEMBL5879531 0.74 ITGB3 (0.75) ITGB3ITGAVNAMPT
SCHEMBL5879698 0.71 ITGB3 (0.71) ITGB3ITGAVNAMPT
SCHEMBL5879584 0.70 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5879561 0.68 ITGB3 (0.70) ITGB3ITGAV

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed